N-methanimidoyl-N-phenylethanimidamide;toluene

C16H19N3 — CID 144868521

IUPACN-methanimidoyl-N-phenylethanimidamide;toluene
SMILESCc1ccccc1.[H]/N=C/N(/C(C)=N/[H])c1ccccc1
InChIInChI=1S/C9H11N3.C7H8/c1-8(11)12(7-10)9-5-3-2-4-6-9;1-7-5-3-2-4-6-7/h2-7,10-11H,1H3;2-6H,1H3/b10-7+,11-8+;
InChIKeyRMHAJOCDIFRFHZ-YXFMPUTOSA-N
MW253.35 g/mol
LogP4.09
Rot. Bonds2

About N-methanimidoyl-N-phenylethanimidamide;toluene

N-methanimidoyl-N-phenylethanimidamide;toluene (PubChem CID 144868521) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-methanimidoyl-N-phenylethanimidamide;toluene.

Molecular Properties

Compound NameN-methanimidoyl-N-phenylethanimidamide;toluene
PubChem CID144868521
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC NameN-methanimidoyl-N-phenylethanimidamide;toluene
SMILESCc1ccccc1.[H]/N=C/N(/C(C)=N/[H])c1ccccc1
InChIInChI=1S/C9H11N3.C7H8/c1-8(11)12(7-10)9-5-3-2-4-6-9;1-7-5-3-2-4-6-7/h2-7,10-11H,1H3;2-6H,1H3/b10-7+,11-8+;
InChIKeyRMHAJOCDIFRFHZ-YXFMPUTOSA-N
XLogP4.09
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-methanimidoyl-N-phenylethanimidamide;toluene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethenyl-N-methylethanimidamide;toluene
CID 142995376
N-methyl-N-(3-methylphenyl)ethanimidamide
CID 63173195
bis(ethanediimidamide);toluene
CID 70390031
hydroxysilane;toluene
CID 174524422
1-ethanimidoyl-1-(3-methylphenyl)thiourea
CID 21420650
benzene;toluene
CID 158487474
methylcyclotriacontapentadecaene
CID 101240530
titanium(2+);toluene
CID 22023820
benzenecarboximidamide;toluene
CID 158219006
bis(2-methylprop-1-ene);toluene
CID 158339604
methanol;titanium;toluene
CID 160815635
oxozinc;toluene
CID 174379116

Frequently Asked Questions

What is the IUPAC name of N-methanimidoyl-N-phenylethanimidamide;toluene?
The IUPAC name of N-methanimidoyl-N-phenylethanimidamide;toluene (CID 144868521) is N-methanimidoyl-N-phenylethanimidamide;toluene.
What is the SMILES notation for N-methanimidoyl-N-phenylethanimidamide;toluene?
The canonical SMILES for N-methanimidoyl-N-phenylethanimidamide;toluene is Cc1ccccc1.[H]/N=C/N(/C(C)=N/[H])c1ccccc1.
What is the InChIKey of N-methanimidoyl-N-phenylethanimidamide;toluene?
The InChIKey is RMHAJOCDIFRFHZ-YXFMPUTOSA-N. The full InChI is InChI=1S/C9H11N3.C7H8/c1-8(11)12(7-10)9-5-3-2-4-6-9;1-7-5-3-2-4-6-7/h2-7,10-11H,1H3;2-6H,1H3/b10-7+,11-8+;.
What are the key properties of N-methanimidoyl-N-phenylethanimidamide;toluene?
N-methanimidoyl-N-phenylethanimidamide;toluene has a molecular weight of 253.35 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methanimidoyl-N-phenylethanimidamide;toluene is sourced from PubChem (CID 144868521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).